[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl] phosphono hydrogen phosphate
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![[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl] phosphono hydrogen phosphate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/e597d482e6c1483184553f652a76721b.png "[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl] phosphono hydrogen phosphate")
[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl] phosphono hydrogen phosphate
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CAS No:
64145-28-4
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Formula:
C10H16N5O11P3S
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Chemical Name:
[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl] phosphono hydrogen phosphate
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Synonyms:
2'-deoxyadenosine 5'-O-(1-thiotriphosphate);2'-deoxyadenosine 5'-O-(1-thiotriphosphate), (S)-isomer;dATPalphaS;deoxyadenosine 5'-(alpha-thio)triphosphate;Sp-dATP alpha S;Datpalphas;2'-Deoxyadenosine 5'-O-(1-thiotriphosphate);2'-deoxyadenosine-5'-O-(1-thiotriphosphate);[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl] phosphono hydrogen phosphate;80875-87-2;alpha-Thio-datp;Sp-Datp alpha S;Sp-dATP-.alpha.-S;SCHEMBL222923;GTPL1715;CHEMBL2390988;alpha-Thiodeoxyadenosine triphosphate;Deoxyadenosine 5'-(alpha-thio)triphosphate;Q27076992;(Sp-)2'- Deoxyadenosine- 5'- O- (.alpha.-thiotriphosphate);[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphinothioyl] phosphono hydrogen phosphate;64145-28-4;Adenosine, 2'-deoxy-, 5'-P''-ester with thiotriphosphoric acid ((HO)2P(O)OP(O)(OH)OP(35S)(OH)2);Adenosine, 2'-deoxy-, 5'-P''-ester with thiotriphosphoric acid ((HO)2P(O)OP(O)(OH)OP(S)(OH)2)
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CAS No:
[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl] phosphono hydrogen phosphate Basic Attributes
507.25 g/mol
506.97798851 g/mol
Computed Properties
Molecular Weight:507.25
XLogP3:-2.7
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:8
Exact Mass:506.97798851
Monoisotopic Mass:506.97798851
Topological Polar Surface Area:274
Heavy Atom Count:30
Complexity:774
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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